Input 01-casida.09-spectrum.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| eps_diff spectrum x | 2.902434000000000e-01 | 2.902434000000000e-01 | 1.450000000000000e-06 | 0.000000000000000e+00 | PASS |
| eps_diff spectrum y | 1.521389000000000e+01 | 1.521389000000000e+01 | 7.610000000000001e-05 | 0.000000000000000e+00 | PASS |
| eps_diff spectrum z | 1.521389000000000e+01 | 1.521389000000000e+01 | 7.610000000000001e-05 | 0.000000000000000e+00 | PASS |
| eps_diff spectrum tot | 1.023934000000000e+01 | 1.024100000000000e+01 | 5.120000000000000e-03 | -1.659999999999329e-03 | PASS |
| Petersilka spectrum x | 2.605148000000000e-01 | 2.605148000000000e-01 | 1.300000000000000e-06 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum y | 2.348781000000000e+01 | 2.348781000000000e+01 | 1.170000000000000e-04 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum z | 2.348781000000000e+01 | 2.348781000000000e+01 | 1.170000000000000e-04 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum tot | 1.574538000000000e+01 | 1.574538000000000e+01 | 7.870000000000000e-05 | 0.000000000000000e+00 | PASS |
| Casida spectrum x | 6.740964000000000e-01 | 6.740964000000000e-01 | 3.370000000000000e-06 | 0.000000000000000e+00 | PASS |
| Casida spectrum y | 1.419941000000000e+01 | 1.419944000000000e+01 | 7.100000000000000e-05 | -2.999999999886427e-05 | PASS |
| Casida spectrum z | 1.419941000000000e+01 | 1.419944000000000e+01 | 7.100000000000000e-05 | -2.999999999886427e-05 | PASS |
| Casida spectrum tot | 9.690972000000000e+00 | 9.690990000000001e+00 | 4.850000000000000e-05 | -1.800000000073965e-05 | PASS |
| CV(2) spectrum x | 4.808010000000000e-01 | 4.808010000000000e-01 | 2.400000000000000e-05 | 0.000000000000000e+00 | PASS |
| CV(2) spectrum y | 1.181195000000000e+00 | 1.181211000000000e+00 | 2.370000000000000e-05 | -1.600000000001600e-05 | PASS |
| CV(2) spectrum z | 1.181194000000000e+00 | 1.181212000000000e+00 | 2.310000000000000e-05 | -1.799999999985147e-05 | PASS |
| CV(2) spectrum tot | 9.477300000000000e-01 | 9.477416000000000e-01 | 1.570000000000000e-05 | -1.160000000000050e-05 | PASS |
| Tamm-Dancoff spectrum x | 6.050210000000000e-01 | 6.050210000000000e-01 | 3.030000000000000e-05 | 0.000000000000000e+00 | PASS |
| Tamm-Dancoff spectrum y | 1.213954000000000e+01 | 1.213955000000000e+01 | 6.070000000000000e-05 | -9.999999999621423e-06 | PASS |
| Tamm-Dancoff spectrum z | 1.213954000000000e+01 | 1.213955000000000e+01 | 6.070000000000000e-05 | -9.999999999621423e-06 | PASS |
| Tamm-Dancoff spectrum tot | 8.294698000000000e+00 | 8.294709000000001e+00 | 1.540000000000000e-05 | -1.100000000064938e-05 | PASS |